Product Name

  • Name

    4-Fluorophenyl acetate

  • EINECS
  • CAS No. 405-51-6
  • Article Data39
  • CAS DataBase
  • Density 1.174 g/cm3
  • Solubility
  • Melting Point 0ºC
  • Formula C8H7FO2
  • Boiling Point 194.9 °C at 760 mmHg
  • Molecular Weight 154.141
  • Flash Point 70 °C
  • Transport Information
  • Appearance Clear colourless liquid
  • Safety 24/25-36/37/39-26
  • Risk Codes 20/21/22-36/37/38-36
  • Molecular Structure Molecular Structure of 405-51-6 (4-Fluorophenyl acetate)
  • Hazard Symbols HarmfulXn
  • Synonyms Phenol,4-fluoro-, acetate (9CI);Phenol, p-fluoro-, acetate (6CI,7CI,8CI);p-Fluorophenyl acetate;
  • PSA 26.30000
  • LogP 1.75100

4-Fluorophenyl acetate Specification

The 4-Fluorophenyl acetate with cas registry number of 405-51-6, belongs to the following product categories: (1)Anisoles, Alkyloxy Compounds & Phenylacetates; (2)Fluorine Compounds; (3)C8 to C9; (4)Carbonyl Compounds; (5)Esters. It has the systematic name of 4-fluorophenyl acetate.

Physical properties about this chemical are: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.74; (4)ACD/LogD (pH 7.4): 1.74; (5)ACD/BCF (pH 5.5): 12.37; (6)ACD/BCF (pH 7.4): 12.37; (7)ACD/KOC (pH 5.5): 210.65; (8)ACD/KOC (pH 7.4): 210.65; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.484; (14)Molar Refractivity: 37.58 cm3; (15)Molar Volume: 131.2 cm3; (16)Polarizability: 14.9×10-24cm3; (17)Surface Tension: 33.5 dyne/cm; (18)Enthalpy of Vaporization: 43.11 kJ/mol; (19)Vapour Pressure: 0.432 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 4-Fluorophenyl acetate irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
Besides this, this chemical is harmful by inhalation, in contact with skin and if swallowed. So avoid contact with skin and eyes.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C(Oc1ccc(F)cc1)C;
(2)InChI: InChI=1/C8H7FO2/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,1H3;
(3)InChIKey: ZNOREXRHKZXVPC-UHFFFAOYAR;
(4)Std. InChI: InChI=1S/C8H7FO2/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,1H3;
(5)Std. InChIKey: ZNOREXRHKZXVPC-UHFFFAOYSA-N

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